5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline

C19H21NO2 — CID 90666509

IUPAC5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline
SMILESCOc1ccc(C2Nc3ccccc3C3CCCOC32)cc1
InChIInChI=1S/C19H21NO2/c1-21-14-10-8-13(9-11-14)18-19-16(6-4-12-22-19)15-5-2-3-7-17(15)20-18/h2-3,5,7-11,16,18-20H,4,6,12H2,1H3
InChIKeyOPSHEGFUISGCGA-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.12
Rot. Bonds2

About 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline

5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline (PubChem CID 90666509) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline
PubChem CID90666509
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline
SMILESCOc1ccc(C2Nc3ccccc3C3CCCOC32)cc1
InChIInChI=1S/C19H21NO2/c1-21-14-10-8-13(9-11-14)18-19-16(6-4-12-22-19)15-5-2-3-7-17(15)20-18/h2-3,5,7-11,16,18-20H,4,6,12H2,1H3
InChIKeyOPSHEGFUISGCGA-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline?
The IUPAC name of 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline (CID 90666509) is 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline?
The canonical SMILES for 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline is COc1ccc(C2Nc3ccccc3C3CCCOC32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline?
The InChIKey is OPSHEGFUISGCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-21-14-10-8-13(9-11-14)18-19-16(6-4-12-22-19)15-5-2-3-7-17(15)20-18/h2-3,5,7-11,16,18-20H,4,6,12H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline?
5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline has a molecular weight of 295.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,3,4a,5,6,10b-hexahydro-1H-pyrano[2,3-c]quinoline is sourced from PubChem (CID 90666509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).